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	hartrees
Energy at 0K	-34.595598
Energy at 298.15K	-34.599733
HF Energy	-34.459209
Nuclear repulsion energy	17.336408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2603	2409	130.95
2	A₁	2244	2076	154.39
3	A₁	1257	1163	116.04
4	A₁	703	651	168.39
5	E	2224	2058	340.98
5	E	2224	2058	340.98
6	E	1291	1194	4.47
6	E	1291	1194	4.47
7	E	1130	1045	29.61
7	E	1130	1045	29.61
8	E	518	479	4.34
8	E	518	479	4.34

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.422
B2	0.000	0.000	0.505
H3	0.000	0.000	1.704
H4	0.000	1.151	0.012
H5	0.997	-0.575	0.012
H6	-0.997	-0.575	0.012

	Li1	B2	H3	H4	H5	H6
Li1		1.9269	3.1257	1.8389	1.8389	1.8389
B2	1.9269		1.1988	1.2520	1.2520	1.2520
H3	3.1257	1.1988		2.0460	2.0460	2.0460
H4	1.8389	1.2520	2.0460		1.9935	1.9935
H5	1.8389	1.2520	2.0460	1.9935		1.9935
H6	1.8389	1.2520	2.0460	1.9935	1.9935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	B2	H3	180.000	Li1	B2	H4	66.824
Li1	B2	H5	66.824	Li1	B2	H6	66.824
Li1	H4	B2	74.429	Li1	H5	B2	74.429
Li1	H6	B2	74.429	H3	B2	H4	113.176
H3	B2	H5	113.176	H3	B2	H6	113.176
H4	B2	H5	105.525	H4	B2	H6	105.525
H5	B2	H6	105.525

All results from a given calculation for LiBH₄ (Lithium borohydride)

using model chemistry: CISD/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for LiBH4 (Lithium borohydride)

using model chemistry: CISD/6-311G*

States and conformations

All results from a given calculation for LiBH₄ (Lithium borohydride)